- InChI
- InChI=1S/C18H20O2/c1-2-8-16-11-6-7-12-17(16)20-18(19)14-13-15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3
- InChI Key
- WLXZDNQBLSQFQD-UHFFFAOYSA-N
- Formula
- C18H20O2
- SMILES
- CCCc1ccccc1OC(=O)CCc1ccccc1
- Molecular Weight1
- 268.35
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7187 | Relay (1.0) Calculated Property | |
| ΔfG° | 5.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -253.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.177 | Crippen Calculated Property | |
| McVol | 224.400 | ml/mol | McGowan Calculated Property |
| Pc | 1900.26 | kPa | Joback Calculated Property |
| Inp | [2123.00; 2123.00] |
|
|
| Inp | 2123.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Tboil | 619.32 | K | Relay (1.0) Calculated Property |
| Tc | 858.58 | K | Relay (1.0) Calculated Property |
| Tfus | 285.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.826 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.70; 715.98] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.15760e+01 | |||
| Coefficient B | 1.44172e+00 | |||
| Coefficient C | -8.56160e-04 | |||
| Coefficient D | 1.72000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 291.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 368.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 437.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 497.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 550.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 595.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 634.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 666.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 693.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 715.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012930; 0.0001168] | Pa×s | [400.31; 666.30] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.26727e+01 | |||
| Coefficient B | 2.41062e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 400.31 | |||
| Temperature range, max. | 666.30 | |||
| η | 0.0012930 | Pa×s | 400.31 | Calculated Property |
| η | 0.0008546 | Pa×s | 429.86 | Calculated Property |
| η | 0.0005958 | Pa×s | 459.42 | Calculated Property |
| η | 0.0004339 | Pa×s | 488.97 | Calculated Property |
| η | 0.0003276 | Pa×s | 518.53 | Calculated Property |
| η | 0.0002550 | Pa×s | 548.08 | Calculated Property |
| η | 0.0002036 | Pa×s | 577.64 | Calculated Property |
| η | 0.0001662 | Pa×s | 607.19 | Calculated Property |
| η | 0.0001382 | Pa×s | 636.74 | Calculated Property |
| η | 0.0001168 | Pa×s | 666.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 2-propylphenyl ester.
Sources
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